#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kax n GLU 2 N 0.00 -2.80 -3.50 0.03 -0.58 -1.26 -5.05 120.64 107.48 2kax n GLU 2 Ca 0.00 0.60 -0.38 0.00 -0.42 0.00 0.00 57.16 56.96 2kax n GLU 2 Cb 0.00 -4.87 -0.10 0.00 -0.57 0.00 0.00 31.44 25.91 2kax n GLU 2 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 2kax s THR 3 N -3.54 5.25 0.63 2.62 -4.23 -1.26 -5.01 115.64 110.11 2kax s THR 3 Ca 0.29 0.38 0.34 0.00 -1.18 0.00 0.00 61.69 61.52 2kax s THR 3 Cb -0.08 -3.61 0.37 0.00 1.34 0.00 0.00 72.50 70.52 2kax s THR 3 CO 0.82 0.23 2.15 1.55 -0.54 0.00 0.00 174.62 178.83 2kax h PRO 4 N 8.07 0.00 -0.36 3.99 0.13 -2.00 -0.71 132.00 141.12 2kax h PRO 4 Ca -0.34 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.80 2kax h PRO 4 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 2kax h PRO 4 CO 0.62 0.00 0.23 1.25 -0.23 0.00 0.00 178.00 179.87 2kax h LEU 5 N 0.00 0.39 -1.62 1.56 5.85 -1.99 -0.45 115.31 119.06 2kax h LEU 5 Ca 0.03 -0.01 0.14 0.00 0.84 0.00 0.00 57.88 58.89 2kax h LEU 5 Cb 0.35 -0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.25 2kax h LEU 5 CO -0.00 0.28 0.48 1.05 -0.34 0.00 0.00 178.44 179.92 2kax h GLU 6 N 0.47 0.38 0.00 1.25 4.11 -1.54 -0.80 114.58 118.46 2kax h GLU 6 Ca 0.14 -0.02 -0.04 0.00 0.07 0.00 0.00 59.36 59.50 2kax h GLU 6 Cb -0.04 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 2kax h GLU 6 CO -0.04 0.25 -0.27 -0.22 0.07 0.00 0.00 179.01 178.80 2kax h LYS 7 N 0.39 0.00 -0.43 1.06 3.11 -1.50 0.15 116.57 119.34 2kax h LYS 7 Ca 0.35 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 58.13 2kax h LYS 7 Cb 0.81 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.03 2kax h LYS 7 CO -0.10 0.19 0.05 0.00 -2.81 0.00 0.00 179.45 176.78 2kax h ALA 8 N 1.80 0.57 -0.37 5.00 0.00 0.28 -0.50 119.26 126.05 2kax h ALA 8 Ca -0.01 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 2kax h ALA 8 Cb 1.16 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.77 2kax h ALA 8 CO 0.03 0.31 -0.00 -0.07 0.00 0.00 0.00 179.25 179.51 2kax h LEU 9 N 0.58 0.55 -0.62 0.00 -0.00 -0.95 -1.96 115.31 112.90 2kax h LEU 9 Ca 0.13 -0.11 0.01 0.00 -0.00 0.00 0.00 57.88 57.90 2kax h LEU 9 Cb 0.41 -0.14 -0.03 0.00 -0.00 0.00 0.00 40.66 40.89 2kax h LEU 9 CO 0.01 0.62 0.41 0.74 -0.00 0.00 0.00 178.44 180.22 2kax h THR 10 N 0.55 1.16 -0.16 0.22 2.02 -0.47 0.23 112.91 116.46 2kax h THR 10 Ca 0.12 -0.30 0.04 0.00 0.77 0.00 0.00 66.41 67.04 2kax h THR 10 Cb 0.36 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.98 2kax h THR 10 CO 0.01 0.16 -0.08 0.74 0.37 0.00 0.00 175.52 176.72 2kax h THR 11 N 0.85 0.74 -0.74 3.16 2.02 -0.83 -1.70 112.91 116.40 2kax h THR 11 Ca 0.23 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.35 2kax h THR 11 Cb -0.09 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 2kax h THR 11 CO -0.05 0.00 0.25 0.24 0.37 0.00 0.00 175.52 176.33 2kax h MET 12 N -0.07 1.14 0.00 6.66 2.07 -0.74 -1.89 114.93 122.10 2kax h MET 12 Ca 0.09 -0.23 -0.05 0.00 -2.07 0.00 0.00 59.70 57.44 2kax h MET 12 Cb 0.20 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 29.75 2kax h MET 12 CO -0.21 0.96 -0.22 -0.39 1.07 0.00 0.00 176.91 178.12 2kax h VAL 13 N 1.10 0.53 0.24 -2.22 -1.51 -0.86 -1.77 116.25 111.77 2kax h VAL 13 Ca 0.24 -1.15 -0.01 0.00 -1.23 0.00 0.00 66.70 64.55 2kax h VAL 13 Cb 0.28 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.24 2kax h VAL 13 CO -0.01 0.22 -0.11 0.74 -1.23 0.00 0.00 177.57 177.17 2kax h THR 14 N 0.00 0.56 -0.14 7.19 2.02 -0.55 -2.43 112.91 119.56 2kax h THR 14 Ca -0.00 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.24 2kax h THR 14 Cb 0.78 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2kax h THR 14 CO 0.03 0.14 0.05 0.71 0.37 0.00 0.00 175.52 176.82 2kax h THR 15 N -0.95 0.98 -0.46 3.16 1.35 -1.50 -2.59 112.91 112.90 2kax h THR 15 Ca -0.03 -0.04 0.11 0.00 -0.55 0.00 0.00 66.41 65.89 2kax h THR 15 Cb 0.48 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.72 2kax h THR 15 CO 0.05 0.02 0.32 0.15 -0.25 0.00 0.00 175.52 175.82 2kax h PHE 16 N 0.12 0.14 0.00 4.73 3.04 -1.42 -1.89 116.94 121.67 2kax h PHE 16 Ca 0.06 0.00 -0.03 0.00 3.98 0.00 0.00 57.97 61.98 2kax h PHE 16 Cb 0.03 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 2kax h PHE 16 CO -0.10 0.07 -0.15 0.45 -2.02 0.00 0.00 178.31 176.56 2kax h HIS 17 N 0.13 0.00 -0.16 0.41 3.86 -1.01 0.30 115.15 118.68 2kax h HIS 17 Ca 0.22 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.42 2kax h HIS 17 Cb 0.68 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 2kax h HIS 17 CO -0.00 0.15 0.08 -0.22 0.86 0.00 0.00 177.93 178.80 2kax h LYS 18 N 0.00 0.23 0.10 2.45 3.11 -1.41 -1.60 116.57 119.44 2kax h LYS 18 Ca -0.00 -0.03 -0.32 0.00 -2.81 0.00 0.00 60.65 57.49 2kax h LYS 18 Cb 0.44 -0.04 -0.02 0.00 -1.00 0.00 0.00 32.23 31.60 2kax h LYS 18 CO 0.02 0.27 -1.70 1.88 -2.81 0.00 0.00 179.45 177.11 2kax h TYR 19 N 0.14 0.37 0.04 1.91 -1.99 -1.52 -3.33 116.97 112.58 2kax h TYR 19 Ca 0.06 -0.27 -0.23 0.00 2.00 0.00 0.00 58.73 60.29 2kax h TYR 19 Cb 0.11 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.81 2kax h TYR 19 CO -0.03 1.41 -1.05 1.03 -0.00 0.00 0.00 178.16 179.52 2kax h SER 20 N 0.06 0.15 0.00 3.88 0.87 -1.10 -3.40 113.55 114.01 2kax h SER 20 Ca -0.30 -0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2kax h SER 20 Cb 2.02 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.93 2kax h SER 20 CO 0.12 1.10 0.00 0.61 -0.53 0.00 0.00 176.83 178.13 2kax n GLY 21 N 1.33 1.62 0.00 5.77 0.00 -0.60 -1.86 105.19 111.45 2kax n GLY 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2kax n GLY 21 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kax n ARG 22 N 1.35 0.00 0.00 1.61 -4.01 -1.26 -5.00 116.66 109.35 2kax n ARG 22 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2kax n ARG 22 Cb 0.32 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.74 2kax n ARG 22 CO 0.00 0.00 0.00 0.39 -3.04 0.00 0.00 177.63 174.98 2kax n GLU 23 N 0.00 3.23 0.22 2.89 -0.58 -0.78 -5.03 120.64 120.59 2kax n GLU 23 Ca 0.00 0.00 0.11 0.00 -0.42 0.00 0.00 57.16 56.85 2kax n GLU 23 Cb 0.22 0.00 0.40 0.00 -0.57 0.00 0.00 31.44 31.49 2kax n GLU 23 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 2kax h GLY 24 N 0.00 0.00 -4.16 0.62 0.00 -1.82 -3.47 103.07 94.25 2kax h GLY 24 Ca 0.00 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.55 2kax h GLY 24 CO 0.00 0.00 0.79 -0.45 0.00 0.00 0.00 176.54 176.88 2kax s SER 25 N -6.14 -0.16 0.00 0.19 0.15 -1.26 -5.02 113.70 101.46 2kax s SER 25 Ca 0.02 0.08 0.06 0.00 0.70 0.00 0.00 55.95 56.81 2kax s SER 25 Cb 0.09 0.15 0.35 0.00 -1.71 0.00 0.00 66.02 64.90 2kax s SER 25 CO 0.64 -0.21 0.81 2.29 1.20 0.00 0.00 173.24 177.97 2kax n LYS 26 N 0.20 0.49 0.00 5.44 2.85 -1.26 -1.21 118.16 124.67 2kax n LYS 26 Ca -0.02 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.24 2kax n LYS 26 Cb 0.58 -1.19 0.00 0.00 -0.65 0.00 0.00 35.03 33.78 2kax n LYS 26 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kax n LEU 27 N -0.69 0.97 -4.38 -5.58 4.77 -1.26 -4.77 117.00 106.06 2kax n LEU 27 Ca 0.04 -0.97 -0.19 0.00 -0.03 0.00 0.00 56.01 54.87 2kax n LEU 27 Cb 0.02 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 2kax n LEU 27 CO 0.03 0.24 -0.27 0.42 -1.33 0.00 0.00 177.39 176.49 2kax s THR 28 N -0.33 0.92 0.13 -5.08 -4.23 -0.35 -3.87 115.64 102.83 2kax s THR 28 Ca 0.00 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.25 2kax s THR 28 Cb 0.00 -2.68 0.08 0.00 1.34 0.00 0.00 72.50 71.23 2kax s THR 28 CO 0.00 -0.04 1.04 -1.48 -0.54 0.00 0.00 174.62 173.60 2kax s LEU 29 N -3.40 -0.11 0.52 4.79 2.34 -1.13 -4.36 118.68 117.32 2kax s LEU 29 Ca 0.36 -0.42 -0.18 0.00 0.06 0.00 0.00 54.13 53.96 2kax s LEU 29 Cb 0.08 2.00 -0.07 0.00 -0.56 0.00 0.00 46.19 47.64 2kax s LEU 29 CO 0.14 -0.81 1.01 -0.94 -1.06 0.00 0.00 176.35 174.69 2kax s SER 30 N -3.06 6.36 0.00 1.48 1.04 -1.26 -0.80 113.70 117.47 2kax s SER 30 Ca 0.15 1.75 0.11 0.00 0.48 0.00 0.00 55.95 58.44 2kax s SER 30 Cb -0.01 -2.53 0.51 0.00 0.10 0.00 0.00 66.02 64.09 2kax s SER 30 CO 0.02 -0.76 1.28 0.54 0.98 0.00 0.00 173.24 175.30 2kax n ARG 31 N -1.40 0.09 -0.06 4.02 5.12 -0.01 -2.15 116.66 122.28 2kax n ARG 31 Ca 0.08 0.24 -0.07 0.00 -1.93 0.00 0.00 57.85 56.17 2kax n ARG 31 Cb 0.53 -1.50 -0.05 0.00 -1.16 0.00 0.00 32.46 30.28 2kax n ARG 31 CO 0.00 0.00 0.00 -0.22 -1.93 0.00 0.00 177.63 175.48 2kax h LYS 32 N 0.00 0.00 -0.31 5.56 1.63 -1.88 -3.29 116.57 118.28 2kax h LYS 32 Ca 0.00 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 59.73 2kax h LYS 32 Cb 0.13 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2kax h LYS 32 CO 0.00 0.40 -0.11 1.49 -3.45 0.00 0.00 179.45 177.77 2kax h GLU 33 N -1.00 0.53 -1.00 1.90 4.57 -1.91 -2.22 114.58 115.45 2kax h GLU 33 Ca -0.02 -0.15 0.25 0.00 -1.18 0.00 0.00 59.36 58.25 2kax h GLU 33 Cb 0.47 -0.06 -0.08 0.00 -0.16 0.00 0.00 28.75 28.92 2kax h GLU 33 CO -0.01 0.64 0.65 1.25 -1.18 0.00 0.00 179.01 180.36 2kax h LEU 34 N 0.49 0.42 -0.40 1.64 5.85 -1.62 -2.21 115.31 119.48 2kax h LEU 34 Ca 0.09 0.06 -0.17 0.00 0.84 0.00 0.00 57.88 58.70 2kax h LEU 34 Cb 0.49 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.49 2kax h LEU 34 CO 0.03 0.11 -0.80 0.07 -0.34 0.00 0.00 178.44 177.51 2kax h LYS 35 N 0.39 0.06 -0.04 1.25 2.10 -1.46 -2.68 116.57 116.19 2kax h LYS 35 Ca 0.55 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 59.14 2kax h LYS 35 Cb 1.41 0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.76 2kax h LYS 35 CO -0.24 0.82 0.02 1.49 -2.00 0.00 0.00 179.45 179.54 2kax h GLU 36 N 0.03 0.05 -0.51 0.07 4.81 -1.48 -3.20 114.58 114.36 2kax h GLU 36 Ca -0.02 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.28 2kax h GLU 36 Cb 1.41 -0.01 -0.10 0.00 0.63 0.00 0.00 28.75 30.68 2kax h GLU 36 CO 0.11 0.17 -0.46 1.25 -0.73 0.00 0.00 179.01 179.35 2kax h LEU 37 N -0.08 -1.56 -0.93 1.64 5.85 -1.11 -1.24 115.31 117.88 2kax h LEU 37 Ca 0.01 0.24 -0.07 0.00 0.84 0.00 0.00 57.88 58.90 2kax h LEU 37 Cb 0.13 0.69 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2kax h LEU 37 CO -0.00 -0.35 0.03 0.40 -0.34 0.00 0.00 178.44 178.18 2kax h ILE 38 N -0.28 1.24 0.00 4.05 2.04 -1.61 0.88 117.51 123.83 2kax h ILE 38 Ca 0.15 -0.96 -0.12 0.00 1.00 0.00 0.00 64.86 64.93 2kax h ILE 38 Cb 0.57 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.46 2kax h ILE 38 CO -0.65 0.34 -0.58 0.11 0.00 0.00 0.00 178.15 177.37 2kax h LYS 39 N 0.77 0.00 -0.01 2.37 1.79 -1.42 -1.06 116.57 119.01 2kax h LYS 39 Ca 0.15 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.62 2kax h LYS 39 Cb 0.42 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2kax h LYS 39 CO 0.01 0.55 -0.02 0.87 -1.08 0.00 0.00 179.45 179.79 2kax h LYS 40 N 0.00 0.02 -0.58 3.15 1.79 -0.97 -3.33 116.57 116.64 2kax h LYS 40 Ca -0.01 -0.02 0.04 0.00 -2.18 0.00 0.00 60.65 58.49 2kax h LYS 40 Cb 1.43 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 32.05 2kax h LYS 40 CO 0.07 0.64 0.39 0.93 -1.08 0.00 0.00 179.45 180.40 2kax h GLU 41 N -0.60 0.62 -2.93 3.15 5.08 -0.86 -3.45 114.58 115.60 2kax h GLU 41 Ca -0.00 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.17 2kax h GLU 41 Cb 0.65 -0.14 -0.26 0.00 0.50 0.00 0.00 28.75 29.49 2kax h GLU 41 CO 0.00 0.41 -0.37 -1.17 -1.00 0.00 0.00 179.01 176.88 2kax s LEU 42 N -9.57 0.54 -0.91 1.33 0.20 -0.40 -5.05 118.68 104.82 2kax s LEU 42 Ca -0.09 0.65 -0.07 0.00 0.69 0.00 0.00 54.13 55.32 2kax s LEU 42 Cb 0.18 1.05 -0.11 0.00 -0.43 0.00 0.00 46.19 46.88 2kax s LEU 42 CO 0.75 -0.14 2.66 0.00 -0.29 0.00 0.00 176.35 179.33 2kax h LEU 44 N 6.96 0.21 -1.72 0.00 3.38 -1.88 -3.28 115.31 118.98 2kax h LEU 44 Ca 0.53 -0.77 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 2kax h LEU 44 Cb 0.50 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2kax h LEU 44 CO 1.24 0.96 -0.16 1.23 0.09 0.00 0.00 178.44 181.80 2kax h GLY 45 N -0.51 0.00 -2.86 0.83 0.00 -1.82 0.10 103.07 98.81 2kax h GLY 45 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2kax h GLY 45 CO 0.05 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 174.75 2kax n GLU 46 N -3.64 3.71 0.00 4.80 0.00 -1.26 -4.28 120.64 119.98 2kax n GLU 46 Ca -0.01 -2.47 0.00 0.00 0.00 0.00 0.00 57.16 54.67 2kax n GLU 46 Cb 0.28 -1.95 0.00 0.00 0.00 0.00 0.00 31.44 29.77 2kax n GLU 46 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 2kax n MET 47 N 0.72 0.37 -4.62 3.44 2.81 -0.46 -5.09 117.12 114.30 2kax n MET 47 Ca 0.22 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.89 2kax n MET 47 Cb 0.89 -0.73 -0.15 0.00 -0.71 0.00 0.00 33.22 32.52 2kax n MET 47 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2kax s LYS 48 N -1.46 1.11 0.00 0.03 3.01 0.23 -5.11 119.74 117.54 2kax s LYS 48 Ca 0.00 -0.49 0.00 0.00 -1.01 0.00 0.00 55.97 54.47 2kax s LYS 48 Cb 0.00 -1.07 0.00 0.00 -1.01 0.00 0.00 37.83 35.75 2kax s LYS 48 CO 0.00 0.29 0.00 -0.85 0.51 0.00 0.00 175.35 175.30 2kax n GLU 49 N 2.73 0.00 0.28 1.68 -0.00 -1.26 -3.72 120.64 120.35 2kax n GLU 49 Ca -0.14 0.00 0.14 0.00 -0.00 0.00 0.00 57.16 57.16 2kax n GLU 49 Cb 0.55 0.00 0.83 0.00 -0.00 0.00 0.00 31.44 32.82 2kax n GLU 49 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.13 177.90 2kax h SER 50 N 0.00 0.00 1.50 -1.84 0.02 -2.00 -0.36 113.55 110.87 2kax h SER 50 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kax h SER 50 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2kax h SER 50 CO 0.00 0.06 -0.13 0.77 -1.14 0.00 0.00 176.83 176.38 2kax h SER 51 N 0.00 0.00 0.90 3.07 4.64 -2.02 -3.22 113.55 116.92 2kax h SER 51 Ca -0.00 -0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.06 2kax h SER 51 Cb 0.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 2kax h SER 51 CO 0.01 0.01 -1.09 0.16 -0.87 0.00 0.00 176.83 175.06 2kax h ILE 52 N 0.00 1.63 0.19 0.95 -0.00 -1.34 -3.37 117.51 115.57 2kax h ILE 52 Ca 0.00 -3.32 -0.31 0.00 -0.00 0.00 0.00 64.86 61.23 2kax h ILE 52 Cb 0.82 2.85 0.03 0.00 -0.00 0.00 0.00 36.82 40.51 2kax h ILE 52 CO 0.00 0.94 -1.32 -0.78 -0.00 0.00 0.00 178.15 176.99 2kax h ASP 53 N 0.01 0.83 -0.40 2.16 3.58 -1.56 -0.81 116.42 120.23 2kax h ASP 53 Ca -0.05 -0.88 0.07 0.00 0.42 0.00 0.00 57.03 56.59 2kax h ASP 53 Cb 1.82 -0.27 -0.06 0.00 1.72 0.00 0.00 39.33 42.55 2kax h ASP 53 CO 0.14 1.64 0.04 -0.78 -2.88 0.00 0.00 179.24 177.40 2kax h ASP 54 N 0.14 -0.09 -0.65 2.28 1.82 -1.77 -2.77 116.42 115.38 2kax h ASP 54 Ca -0.22 0.08 -0.06 0.00 -0.39 0.00 0.00 57.03 56.44 2kax h ASP 54 Cb 2.02 0.13 -0.03 0.00 0.68 0.00 0.00 39.33 42.13 2kax h ASP 54 CO 0.25 -0.01 0.19 -0.07 -1.61 0.00 0.00 179.24 177.99 2kax h LEU 55 N 0.15 0.99 -1.56 2.28 3.38 -1.71 0.30 115.31 119.14 2kax h LEU 55 Ca 0.20 -0.19 0.10 0.00 0.09 0.00 0.00 57.88 58.08 2kax h LEU 55 Cb 0.27 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2kax h LEU 55 CO -0.30 0.94 0.45 0.24 0.09 0.00 0.00 178.44 179.85 2kax h MET 56 N 1.01 0.48 0.07 1.13 2.86 -0.93 -0.78 114.93 118.77 2kax h MET 56 Ca 0.22 -0.03 -0.28 0.00 -2.06 0.00 0.00 59.70 57.55 2kax h MET 56 Cb 0.32 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 2kax h MET 56 CO -0.00 0.32 -1.38 0.87 1.06 0.00 0.00 176.91 177.77 2kax h LYS 57 N 0.49 0.15 0.00 1.72 6.56 -1.02 -3.37 116.57 121.10 2kax h LYS 57 Ca 0.31 -0.26 -0.02 0.00 -1.06 0.00 0.00 60.65 59.62 2kax h LYS 57 Cb 0.56 0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2kax h LYS 57 CO -0.10 1.01 -0.10 0.77 -2.06 0.00 0.00 179.45 178.97 2kax h SER 58 N 0.04 0.00 -0.62 0.86 0.02 0.49 -0.34 113.55 114.00 2kax h SER 58 Ca -0.18 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 2kax h SER 58 Cb 1.95 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.46 2kax h SER 58 CO 0.15 0.10 0.19 -0.07 -1.14 0.00 0.00 176.83 176.05 2kax h LEU 59 N 0.00 0.90 -1.13 5.07 3.38 -1.38 -3.28 115.31 118.87 2kax h LEU 59 Ca -0.00 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.69 2kax h LEU 59 Cb 0.85 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2kax h LEU 59 CO 0.01 0.88 -0.31 -0.78 0.09 0.00 0.00 178.44 178.33 2kax h ASP 60 N 0.88 0.00 -0.12 -0.43 1.82 -1.25 -2.45 116.42 114.87 2kax h ASP 60 Ca 0.20 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.87 2kax h ASP 60 Cb 0.30 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 2kax h ASP 60 CO -0.00 0.31 0.21 0.11 -1.61 0.00 0.00 179.24 178.25 2kax h LYS 61 N 0.00 0.00 -0.43 0.28 1.57 -1.40 -3.00 116.57 113.59 2kax h LYS 61 Ca -0.00 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.53 2kax h LYS 61 Cb 0.77 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 32.73 2kax h LYS 61 CO 0.04 0.00 -0.97 0.09 -0.57 0.00 0.00 179.45 178.04 2kax n ASN 62 N -3.45 0.94 0.04 0.86 3.02 -1.05 -5.02 115.26 110.60 2kax n ASN 62 Ca 0.00 -2.16 -0.13 0.00 -0.03 0.00 0.00 54.58 52.25 2kax n ASN 62 Cb 0.31 -0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 2kax n ASN 62 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 2kax h SER 63 N 2.38 0.62 -0.82 6.41 4.64 -1.30 -3.34 113.55 122.14 2kax h SER 63 Ca -0.19 -0.45 -0.52 0.00 -0.47 0.00 0.00 61.79 60.16 2kax h SER 63 Cb 1.26 -0.19 -0.28 0.00 -0.31 0.00 0.00 62.40 62.88 2kax h SER 63 CO 0.16 1.23 0.34 0.47 -0.87 0.00 0.00 176.83 178.15 2kax n ASP 64 N -3.82 5.26 -4.48 4.97 8.00 -1.26 -0.83 116.55 124.40 2kax n ASP 64 Ca -0.06 -3.75 -0.24 0.00 0.71 0.00 0.00 54.79 51.46 2kax n ASP 64 Cb 0.78 -0.77 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 2kax n ASP 64 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2kax s GLN 65 N -3.55 1.67 0.17 -1.24 -0.21 -1.25 -5.06 119.66 110.17 2kax s GLN 65 Ca 0.57 -1.82 -0.13 0.00 0.02 0.00 0.00 55.36 53.99 2kax s GLN 65 Cb 0.47 -1.53 -0.07 0.00 1.00 0.00 0.00 33.01 32.88 2kax s GLN 65 CO 0.03 0.17 0.55 -1.21 -2.12 0.00 0.00 175.29 172.70 2kax s GLU 66 N -3.62 3.94 0.29 2.91 2.02 -1.26 -3.93 118.70 119.05 2kax s GLU 66 Ca 0.30 0.44 0.11 0.00 0.02 0.00 0.00 54.97 55.84 2kax s GLU 66 Cb 0.01 -2.86 -0.05 0.00 0.10 0.00 0.00 34.13 31.32 2kax s GLU 66 CO 0.14 0.44 -0.12 0.96 0.02 0.00 0.00 175.26 176.70 2kax s ILE 67 N -1.55 2.69 0.86 -1.63 -4.36 0.02 -4.95 121.20 112.27 2kax s ILE 67 Ca 0.40 -2.23 -0.11 0.00 -0.26 0.00 0.00 60.65 58.46 2kax s ILE 67 Cb -0.14 -2.51 0.16 0.00 1.25 0.00 0.00 42.46 41.21 2kax s ILE 67 CO 0.20 -0.35 1.19 1.51 0.24 0.00 0.00 174.94 177.72 2kax s ASP 68 N -3.58 3.75 0.40 4.36 1.47 -1.26 -2.82 116.67 118.98 2kax s ASP 68 Ca 0.31 0.16 0.28 0.00 1.18 0.00 0.00 52.55 54.48 2kax s ASP 68 Cb -0.04 -0.39 1.38 0.00 -0.34 0.00 0.00 42.92 43.53 2kax s ASP 68 CO 0.17 -2.31 1.85 0.15 0.68 0.00 0.00 175.17 175.71 2kax h PHE 69 N -1.18 0.00 0.05 2.11 3.04 -1.99 -3.21 116.94 115.75 2kax h PHE 69 Ca -0.42 0.00 -0.13 0.00 3.98 0.00 0.00 57.97 61.39 2kax h PHE 69 Cb 1.26 0.00 0.01 0.00 2.56 0.00 0.00 35.95 39.78 2kax h PHE 69 CO -0.62 0.00 -0.56 -0.22 -2.02 0.00 0.00 178.31 174.90 2kax h LYS 70 N 0.00 0.29 0.00 1.11 3.64 -1.94 -1.13 116.57 118.55 2kax h LYS 70 Ca 0.00 -0.38 -0.01 0.00 -1.27 0.00 0.00 60.65 58.99 2kax h LYS 70 Cb 0.17 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 2kax h LYS 70 CO 0.00 1.10 -0.03 0.93 -2.27 0.00 0.00 179.45 179.18 2kax h GLU 71 N -0.34 0.00 0.11 1.90 4.39 -1.96 0.62 114.58 119.30 2kax h GLU 71 Ca -0.08 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 2kax h GLU 71 Cb 1.34 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2kax h GLU 71 CO 0.11 0.03 -0.05 -0.92 -1.16 0.00 0.00 179.01 177.02 2kax h TYR 72 N 0.00 -0.13 -0.24 4.33 3.20 -1.63 -3.36 116.97 119.13 2kax h TYR 72 Ca -0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2kax h TYR 72 Cb 0.12 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 2kax h TYR 72 CO 0.00 0.23 -0.26 0.66 -1.64 0.00 0.00 178.16 177.15 2kax h SER 73 N -0.98 0.47 -0.73 -2.11 4.64 -0.60 -2.37 113.55 111.87 2kax h SER 73 Ca -0.01 -0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.21 2kax h SER 73 Cb 0.42 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.34 2kax h SER 73 CO 0.02 0.72 0.48 -0.37 -0.87 0.00 0.00 176.83 176.81 2kax h VAL 74 N 0.41 1.01 0.00 0.95 -1.51 -1.11 -2.09 116.25 113.91 2kax h VAL 74 Ca 0.06 -0.26 -0.02 0.00 -1.23 0.00 0.00 66.70 65.25 2kax h VAL 74 Cb 0.67 0.20 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 2kax h VAL 74 CO 0.05 0.14 -0.09 0.15 -1.23 0.00 0.00 177.57 176.59 2kax h PHE 75 N 0.75 0.08 -0.52 5.19 3.04 -1.58 0.30 116.94 124.21 2kax h PHE 75 Ca 0.32 -0.05 0.05 0.00 3.98 0.00 0.00 57.97 62.27 2kax h PHE 75 Cb 0.27 -0.01 -0.05 0.00 2.56 0.00 0.00 35.95 38.73 2kax h PHE 75 CO -0.00 0.87 0.24 -0.07 -2.02 0.00 0.00 178.31 177.33 2kax h LEU 76 N -0.73 0.33 -0.24 0.59 3.38 -1.56 -1.41 115.31 115.67 2kax h LEU 76 Ca -0.01 0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.78 2kax h LEU 76 Cb 0.90 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.63 2kax h LEU 76 CO 0.02 0.23 -0.82 0.74 0.09 0.00 0.00 178.44 178.70 2kax h THR 77 N 0.47 1.34 -0.08 0.22 2.02 -1.37 -2.36 112.91 113.15 2kax h THR 77 Ca 0.24 -2.15 0.02 0.00 0.77 0.00 0.00 66.41 65.28 2kax h THR 77 Cb 0.18 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2kax h THR 77 CO -0.19 0.66 -0.03 -0.03 0.37 0.00 0.00 175.52 176.30 2kax h MET 78 N 0.37 -0.01 -0.52 6.66 1.85 -0.24 0.16 114.93 123.20 2kax h MET 78 Ca -0.06 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 58.95 2kax h MET 78 Cb 1.43 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 33.44 2kax h MET 78 CO 0.15 -0.01 -0.02 1.25 -0.40 0.00 0.00 176.91 177.89 2kax h LEU 79 N -0.02 0.86 0.18 3.39 7.12 -1.27 -1.73 115.31 123.84 2kax h LEU 79 Ca 0.04 -0.23 -0.01 0.00 0.13 0.00 0.00 57.88 57.81 2kax h LEU 79 Cb 0.08 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 39.98 2kax h LEU 79 CO -0.09 0.93 -0.08 0.00 -0.13 0.00 0.00 178.44 179.07 2kax h MET 81 N -0.27 0.00 0.00 0.00 -0.00 -0.84 -0.70 114.93 113.13 2kax h MET 81 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.68 2kax h MET 81 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.81 2kax h MET 81 CO 0.04 0.14 0.00 0.00 -0.00 0.00 0.00 176.91 177.09 2kax n ALA 82 N -2.23 2.08 -1.02 -3.00 0.00 -0.66 -2.90 120.51 112.78 2kax n ALA 82 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2kax n ALA 82 Cb 0.31 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.55 2kax n ALA 82 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 2kax n TYR 83 N -0.91 0.00 1.97 0.00 0.18 -0.35 -4.88 117.16 113.16 2kax n TYR 83 Ca 0.10 0.00 0.08 0.00 1.88 0.00 0.00 57.90 59.95 2kax n TYR 83 Cb 0.04 0.00 0.45 0.00 -0.38 0.00 0.00 39.34 39.45 2kax n TYR 83 CO 0.00 0.00 0.00 0.09 -2.08 0.00 0.00 176.86 174.87 2kax n ASN 84 N 0.00 0.00 0.22 9.48 3.02 -0.69 -3.16 115.26 124.12 2kax n ASN 84 Ca 0.00 -1.50 0.15 0.00 -0.03 0.00 0.00 54.58 53.21 2kax n ASN 84 Cb 0.49 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.36 2kax n ASN 84 CO 0.00 0.00 0.00 -2.24 -2.62 0.00 0.00 177.26 172.40 2kax h ASP 85 N 0.00 0.00 0.08 6.41 2.03 -1.89 -2.37 116.42 120.69 2kax h ASP 85 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2kax h ASP 85 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 2kax h ASP 85 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 179.24 178.70 2kax n PHE 86 N -2.67 0.00 1.12 4.15 3.01 -1.19 -0.82 117.46 121.06 2kax n PHE 86 Ca 0.00 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.58 2kax n PHE 86 Cb 0.20 -0.28 0.18 0.00 -0.01 0.00 0.00 39.48 39.57 2kax n PHE 86 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 2kax n PHE 87 N -1.28 0.00 -0.35 1.38 3.72 -0.89 -5.03 117.46 115.01 2kax n PHE 87 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 2kax n PHE 87 Cb 0.04 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2kax n PHE 87 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2kax n LEU 88 N 0.00 0.00 0.00 4.37 0.00 -0.00 -5.10 117.00 116.27 2kax n LEU 88 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.13 2kax n LEU 88 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.86 2kax n LEU 88 CO 0.25 0.00 0.00 -0.62 0.00 0.00 0.00 177.39 177.02 2kax n GLU 89 N 0.00 0.00 -3.94 1.96 4.71 -1.26 -5.13 120.64 116.97 2kax n GLU 89 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.06 2kax n GLU 89 Cb 0.00 -0.14 -0.05 0.00 -1.01 0.00 0.00 31.44 30.24 2kax n GLU 89 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2kax s ASP 90 N -1.29 -0.11 -1.28 1.62 2.15 -1.26 -5.07 116.67 111.42 2kax s ASP 90 Ca 0.00 -0.83 -0.11 0.00 0.43 0.00 0.00 52.55 52.04 2kax s ASP 90 Cb 0.00 0.58 -0.06 0.00 -0.30 0.00 0.00 42.92 43.13 2kax s ASP 90 CO 0.00 -1.11 2.46 0.59 -0.17 0.00 0.00 175.17 176.94 2kax n ASN 91 N -0.36 6.06 0.00 -0.34 5.03 -1.26 -5.13 115.26 119.26 2kax n ASN 91 Ca -0.04 -2.55 0.00 0.00 0.87 0.00 0.00 54.58 52.87 2kax n ASN 91 Cb 0.62 -1.38 0.00 0.00 -1.02 0.00 0.00 39.78 38.00 2kax n ASN 91 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72